NAV

Calmangafodipir

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Calmangafodipir
DrugBank Accession Number
DB18398
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 3397.468
Monoisotopic: 3395.405286
Chemical Formula
C110H150Ca4MnN20O70P10
Synonyms
  • Calcium,n,n'-1,2-ethanediylbis(n-((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)glycine) manganese complexes trisodium trihydrogen manganate
  • Calmangafodipir (ca4mn(dpdp)5)
  • Pledox
  • Tetracalcium monomanganese penta(dipyridoxyl diphosphate)
External IDs
  • PP100-01
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
N0JZU0WGU5
CAS number
1401243-67-1
InChI Key
QAOJLUYEMFXJGX-UHFFFAOYSA-D
InChI
InChI=1S/5C22H32N4O14P2.4Ca.Mn/c5*1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32;;;;;/h5*5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);;;;;/q;;;;;5*+2/p-10
IUPAC Name
tetracalcium manganese(2+) pentakis((4-{[(carboxymethyl)({2-[(carboxymethyl)({5-[(hydrogen phosphonatooxy)methyl]-3-hydroxy-2-methylpyridin-4-yl}methyl)amino]ethyl})amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl hydrogen phosphate)
SMILES
[Ca++].[Ca++].[Ca++].[Ca++].[Mn++].CC1=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC2=C(COP(O)([O-])=O)C=NC(C)=C2O)CC(O)=O)=C1O.CC1=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC2=C(COP(O)([O-])=O)C=NC(C)=C2O)CC(O)=O)=C1O.CC1=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC2=C(COP(O)([O-])=O)C=NC(C)=C2O)CC(O)=O)=C1O.CC1=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC2=C(COP(O)([O-])=O)C=NC(C)=C2O)CC(O)=O)=C1O.CC1=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC2=C(COP(O)([O-])=O)C=NC(C)=C2O)CC(O)=O)=C1O

References

General References
Not Available
Not Available

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3TerminatedPreventionChemotherapy Induced Peripheral Neuropathy (CIPN) / Colorectal Cancer2
1CompletedTreatmentChemotherapy Induced Peripheral Neuropathy (CIPN)1
1CompletedTreatmentParacetamol Overdose1
1, 2CompletedTreatmentAdvanced Metastatic (Stage IV) Colorectal Cancer1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP-1.9Chemaxon
pKa (Strongest Acidic)1.45Chemaxon
pKa (Strongest Basic)-6.8Chemaxon
Physiological Charge-7Chemaxon
Hydrogen Acceptor Count16Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area286.5 Å2Chemaxon
Rotatable Bond Count85Chemaxon
Refractivity141.37 m3·mol-1Chemaxon
Polarizability55.8 Å3Chemaxon
Number of Rings10Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 21, 2023 21:59 / Updated at September 24, 2023 02:56